N-(1,3-benzodioxol-5-ylmethyl)-4-[4-[(3S)-3-oxidanylpiperidin-1-ium-1-yl]piperidin-1-yl]benzamide

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-4-[4-[(3S)-3-oxidanylpiperidin-1-ium-1-yl]piperidin-1-yl]benzamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-4-[4-[(3S)-3-hydroxypiperidin-1-ium-1-yl]-1-piperidyl]benzamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-4-[4-[(3S)-3-hydroxy-1-piperidin-1-iumyl]-1-piperidinyl]benzamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-4-[4-[(3S)-3-hydroxypiperidin-1-ium-1-yl]piperidin-1-yl]benzamide Traditional Name: 4-[4-[(3S)-3-hydroxypiperidin-1-ium-1-yl]piperidino]-N-piperonyl-benzamide Formula: C25H32N3O4+ MolecularWeight: 438.53928

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C[NH+](C1)C2CCN(CC2)C3=CC=C(C=C3)C(=O)NCC4=CC5=C(C=C4)OCO5)O

Isomeric SMILES

C1C[C@@H](C[NH+](C1)C2CCN(CC2)C3=CC=C(C=C3)C(=O)NCC4=CC5=C(C=C4)OCO5)O

InChI

InChI=1S/C25H31N3O4/c29-22-2-1-11-28(16-22)21-9-12-27(13-10-21)20-6-4-19(5-7-20)25(30)26-15-18-3-8-23-24(14-18)32-17-31-23/h3-8,14,21-22,29H,1-2,9-13,15-17H2,(H,26,30)/p+1/t22-/m0/s1